N-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]formamide

C8H15N7O — CID 14509141

IUPACN-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]formamide
SMILESCCNc1nc(NCC)nc(NNC=O)n1
InChIInChI=1S/C8H15N7O/c1-3-9-6-12-7(10-4-2)14-8(13-6)15-11-5-16/h5H,3-4H2,1-2H3,(H,11,16)(H3,9,10,12,13,14,15)
InChIKeyLWJOERZHZJZQFS-UHFFFAOYSA-N
MW225.26 g/mol
LogP-0.19
Rot. Bonds7

About N-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]formamide

N-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]formamide (PubChem CID 14509141) has the molecular formula C8H15N7O and a molecular weight of 225.26 g/mol. Its IUPAC name is N-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]formamide.

Molecular Properties

Compound NameN-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]formamide
PubChem CID14509141
Molecular FormulaC8H15N7O
Molecular Weight225.26 g/mol
Exact Mass225.13
IUPAC NameN-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]formamide
SMILESCCNc1nc(NCC)nc(NNC=O)n1
InChIInChI=1S/C8H15N7O/c1-3-9-6-12-7(10-4-2)14-8(13-6)15-11-5-16/h5H,3-4H2,1-2H3,(H,11,16)(H3,9,10,12,13,14,15)
InChIKeyLWJOERZHZJZQFS-UHFFFAOYSA-N
XLogP-0.19
TPSA103.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea
CID 110178349
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
1-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylthiourea
CID 71692745
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea
CID 13196363
2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 12871
[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide
CID 12539665
2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 19357503
2-(ethylamino)pyrimidine-5-carbaldehyde
CID 11400865
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]formamide?
The IUPAC name of N-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]formamide (CID 14509141) is N-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]formamide.
What is the SMILES notation for N-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]formamide?
The canonical SMILES for N-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]formamide is CCNc1nc(NCC)nc(NNC=O)n1.
What is the InChIKey of N-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]formamide?
The InChIKey is LWJOERZHZJZQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N7O/c1-3-9-6-12-7(10-4-2)14-8(13-6)15-11-5-16/h5H,3-4H2,1-2H3,(H,11,16)(H3,9,10,12,13,14,15).
What are the key properties of N-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]formamide?
N-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]formamide has a molecular weight of 225.26 g/mol, XLogP of -0.19, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]formamide is sourced from PubChem (CID 14509141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).