(2S)-2-amino-4-[(diaminomethylideneamino)methyl]-6-(2H-triazol-4-yl)hexanamide

C10H20N8O — CID 91171978

IUPAC(2S)-2-amino-4-[(diaminomethylideneamino)methyl]-6-(2H-triazol-4-yl)hexanamide
SMILESNC(=O)[C@@H](N)CC(CCc1cn[nH]n1)CN=C(N)N
InChIInChI=1S/C10H20N8O/c11-8(9(12)19)3-6(4-15-10(13)14)1-2-7-5-16-18-17-7/h5-6,8H,1-4,11H2,(H2,12,19)(H4,13,14,15)(H,16,17,18)/t6?,8-/m0/s1
InChIKeyAHIYYCCIHLAKAZ-XDKWHASVSA-N
MW268.32 g/mol
LogP-2.17
Rot. Bonds8

About (2S)-2-amino-4-[(diaminomethylideneamino)methyl]-6-(2H-triazol-4-yl)hexanamide

(2S)-2-amino-4-[(diaminomethylideneamino)methyl]-6-(2H-triazol-4-yl)hexanamide (PubChem CID 91171978) has the molecular formula C10H20N8O and a molecular weight of 268.32 g/mol. Its IUPAC name is (2S)-2-amino-4-[(diaminomethylideneamino)methyl]-6-(2H-triazol-4-yl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-[(diaminomethylideneamino)methyl]-6-(2H-triazol-4-yl)hexanamide
PubChem CID91171978
Molecular FormulaC10H20N8O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name(2S)-2-amino-4-[(diaminomethylideneamino)methyl]-6-(2H-triazol-4-yl)hexanamide
SMILESNC(=O)[C@@H](N)CC(CCc1cn[nH]n1)CN=C(N)N
InChIInChI=1S/C10H20N8O/c11-8(9(12)19)3-6(4-15-10(13)14)1-2-7-5-16-18-17-7/h5-6,8H,1-4,11H2,(H2,12,19)(H4,13,14,15)(H,16,17,18)/t6?,8-/m0/s1
InChIKeyAHIYYCCIHLAKAZ-XDKWHASVSA-N
XLogP-2.17
TPSA175.08 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-2.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(diaminomethylideneamino)propanamide
CID 149104160
ethyl (2S)-2-amino-4-[(diaminomethylideneamino)methyl]hexanoate
CID 57189419
2-amino-4-pyridin-2-ylbutanamide
CID 64990711
(2S)-2-amino-5-(diaminomethylideneamino)-4-phenoxypentanoic acid
CID 70071233
2H-benzotriazol-4-yl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 67900602
2-(4-amino-5-oxo-5-pyrimidin-2-ylpentyl)guanidine
CID 175118593
(2S)-2-amino-N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 7408731
(2S)-2-amino-4-[(diaminomethylideneamino)methyl]-5-oxohexanoic acid
CID 87499595
octakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);tris(1H-pyrrole)
CID 173055307
2-(2H-triazol-4-yl)butanamide
CID 90219358
phenyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 139830278
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-4-phenylbutanoic acid
CID 138596629

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[(diaminomethylideneamino)methyl]-6-(2H-triazol-4-yl)hexanamide?
The IUPAC name of (2S)-2-amino-4-[(diaminomethylideneamino)methyl]-6-(2H-triazol-4-yl)hexanamide (CID 91171978) is (2S)-2-amino-4-[(diaminomethylideneamino)methyl]-6-(2H-triazol-4-yl)hexanamide.
What is the SMILES notation for (2S)-2-amino-4-[(diaminomethylideneamino)methyl]-6-(2H-triazol-4-yl)hexanamide?
The canonical SMILES for (2S)-2-amino-4-[(diaminomethylideneamino)methyl]-6-(2H-triazol-4-yl)hexanamide is NC(=O)[C@@H](N)CC(CCc1cn[nH]n1)CN=C(N)N.
What is the InChIKey of (2S)-2-amino-4-[(diaminomethylideneamino)methyl]-6-(2H-triazol-4-yl)hexanamide?
The InChIKey is AHIYYCCIHLAKAZ-XDKWHASVSA-N. The full InChI is InChI=1S/C10H20N8O/c11-8(9(12)19)3-6(4-15-10(13)14)1-2-7-5-16-18-17-7/h5-6,8H,1-4,11H2,(H2,12,19)(H4,13,14,15)(H,16,17,18)/t6?,8-/m0/s1.
What are the key properties of (2S)-2-amino-4-[(diaminomethylideneamino)methyl]-6-(2H-triazol-4-yl)hexanamide?
(2S)-2-amino-4-[(diaminomethylideneamino)methyl]-6-(2H-triazol-4-yl)hexanamide has a molecular weight of 268.32 g/mol, XLogP of -2.17, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[(diaminomethylideneamino)methyl]-6-(2H-triazol-4-yl)hexanamide is sourced from PubChem (CID 91171978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).