N'-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-pyridin-2-ylcyclopropane-1-carbohydrazide

C16H22N8O — CID 166386185

IUPACN'-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-pyridin-2-ylcyclopropane-1-carbohydrazide
SMILESCCNc1nc(NCC)nc(NNC(=O)C2(c3ccccn3)CC2)n1
InChIInChI=1S/C16H22N8O/c1-3-17-13-20-14(18-4-2)22-15(21-13)24-23-12(25)16(8-9-16)11-7-5-6-10-19-11/h5-7,10H,3-4,8-9H2,1-2H3,(H,23,25)(H3,17,18,20,21,22,24)
InChIKeySZYUYWBONKJQQO-UHFFFAOYSA-N
MW342.41 g/mol
LogP1.31
Rot. Bonds8

About N'-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-pyridin-2-ylcyclopropane-1-carbohydrazide

N'-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-pyridin-2-ylcyclopropane-1-carbohydrazide (PubChem CID 166386185) has the molecular formula C16H22N8O and a molecular weight of 342.41 g/mol. Its IUPAC name is N'-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-pyridin-2-ylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-pyridin-2-ylcyclopropane-1-carbohydrazide
PubChem CID166386185
Molecular FormulaC16H22N8O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC NameN'-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-pyridin-2-ylcyclopropane-1-carbohydrazide
SMILESCCNc1nc(NCC)nc(NNC(=O)C2(c3ccccn3)CC2)n1
InChIInChI=1S/C16H22N8O/c1-3-17-13-20-14(18-4-2)22-15(21-13)24-23-12(25)16(8-9-16)11-7-5-6-10-19-11/h5-7,10H,3-4,8-9H2,1-2H3,(H,23,25)(H3,17,18,20,21,22,24)
InChIKeySZYUYWBONKJQQO-UHFFFAOYSA-N
XLogP1.31
TPSA116.75 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-pyridin-2-ylcyclopropane-1-carbohydrazide with MolForge

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Related Compounds

1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 56604209
[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea
CID 110178349
1-pyridin-2-ylcyclohexane-1-carbohydrazide
CID 116844535
1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide
CID 36658872
4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide
CID 144998145
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-1-pyridin-2-ylcyclopropane-1-carboxamide
CID 66692410
(1-pyridin-2-ylcyclopropyl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone
CID 135196336
1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 30944923
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
N-methyl-2-pyridin-2-ylpyrrolidine-2-carboxamide
CID 73439506
2-[4-(dimethylamino)-1-hydroxy-4-pyridin-2-ylcyclohexyl]acetic acid
CID 67386014
1-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylthiourea
CID 71692745

Frequently Asked Questions

What is the IUPAC name of N'-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-pyridin-2-ylcyclopropane-1-carbohydrazide?
The IUPAC name of N'-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-pyridin-2-ylcyclopropane-1-carbohydrazide (CID 166386185) is N'-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-pyridin-2-ylcyclopropane-1-carbohydrazide.
What is the SMILES notation for N'-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-pyridin-2-ylcyclopropane-1-carbohydrazide?
The canonical SMILES for N'-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-pyridin-2-ylcyclopropane-1-carbohydrazide is CCNc1nc(NCC)nc(NNC(=O)C2(c3ccccn3)CC2)n1.
What is the InChIKey of N'-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-pyridin-2-ylcyclopropane-1-carbohydrazide?
The InChIKey is SZYUYWBONKJQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8O/c1-3-17-13-20-14(18-4-2)22-15(21-13)24-23-12(25)16(8-9-16)11-7-5-6-10-19-11/h5-7,10H,3-4,8-9H2,1-2H3,(H,23,25)(H3,17,18,20,21,22,24).
What are the key properties of N'-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-pyridin-2-ylcyclopropane-1-carbohydrazide?
N'-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-pyridin-2-ylcyclopropane-1-carbohydrazide has a molecular weight of 342.41 g/mol, XLogP of 1.31, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-pyridin-2-ylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 166386185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).