N-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl]prop-2-enamide

C7H11N7O — CID 19098004

IUPACN-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl]prop-2-enamide
SMILESC=CC(=O)NCNc1nc(N)nc(N)n1
InChIInChI=1S/C7H11N7O/c1-2-4(15)10-3-11-7-13-5(8)12-6(9)14-7/h2H,1,3H2,(H,10,15)(H5,8,9,11,12,13,14)
InChIKeyFBPYEQJZNXUKBO-UHFFFAOYSA-N
MW209.21 g/mol
LogP-1.29
Rot. Bonds4

About N-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl]prop-2-enamide

N-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl]prop-2-enamide (PubChem CID 19098004) has the molecular formula C7H11N7O and a molecular weight of 209.21 g/mol. Its IUPAC name is N-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl]prop-2-enamide
PubChem CID19098004
Molecular FormulaC7H11N7O
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC NameN-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl]prop-2-enamide
SMILESC=CC(=O)NCNc1nc(N)nc(N)n1
InChIInChI=1S/C7H11N7O/c1-2-4(15)10-3-11-7-13-5(8)12-6(9)14-7/h2H,1,3H2,(H,10,15)(H5,8,9,11,12,13,14)
InChIKeyFBPYEQJZNXUKBO-UHFFFAOYSA-N
XLogP-1.29
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl]prop-2-enamide?
The IUPAC name of N-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl]prop-2-enamide (CID 19098004) is N-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl]prop-2-enamide.
What is the SMILES notation for N-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl]prop-2-enamide?
The canonical SMILES for N-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl]prop-2-enamide is C=CC(=O)NCNc1nc(N)nc(N)n1.
What is the InChIKey of N-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl]prop-2-enamide?
The InChIKey is FBPYEQJZNXUKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7O/c1-2-4(15)10-3-11-7-13-5(8)12-6(9)14-7/h2H,1,3H2,(H,10,15)(H5,8,9,11,12,13,14).
What are the key properties of N-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl]prop-2-enamide?
N-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl]prop-2-enamide has a molecular weight of 209.21 g/mol, XLogP of -1.29, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]methyl]prop-2-enamide is sourced from PubChem (CID 19098004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).