N'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine

C11H21N7O — CID 114133549

IUPACN'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine
SMILESCCN(CCNc1nc(NN)nc(OC)n1)C1CC1
InChIInChI=1S/C11H21N7O/c1-3-18(8-4-5-8)7-6-13-9-14-10(17-12)16-11(15-9)19-2/h8H,3-7,12H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyHXUWQRWBQKAQSB-UHFFFAOYSA-N
MW267.34 g/mol
LogP0.06
Rot. Bonds8

About N'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine

N'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine (PubChem CID 114133549) has the molecular formula C11H21N7O and a molecular weight of 267.34 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine
PubChem CID114133549
Molecular FormulaC11H21N7O
Molecular Weight267.34 g/mol
Exact Mass267.18
IUPAC NameN'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine
SMILESCCN(CCNc1nc(NN)nc(OC)n1)C1CC1
InChIInChI=1S/C11H21N7O/c1-3-18(8-4-5-8)7-6-13-9-14-10(17-12)16-11(15-9)19-2/h8H,3-7,12H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyHXUWQRWBQKAQSB-UHFFFAOYSA-N
XLogP0.06
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine (CID 114133549) is N'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine is CCN(CCNc1nc(NN)nc(OC)n1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The InChIKey is HXUWQRWBQKAQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7O/c1-3-18(8-4-5-8)7-6-13-9-14-10(17-12)16-11(15-9)19-2/h8H,3-7,12H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of N'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine?
N'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine has a molecular weight of 267.34 g/mol, XLogP of 0.06, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 114133549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).